BDMAEE – Page 1434

1-phenylisatin

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	07fk
molecular formula	c14h9no2
molecular weight	223.23
label	1-phenyl-indole-2,3-dione, heterocyclic compounds

numbering system

cas number:723-89-7

mdl number:mfcd00082681

einecs number:000-000-0

rtecs number:nl7984000

brn number:164531

pubchem number:24861496

physical property data

1. characteristics: orange powder

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 139 -142

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of partition coefficient (water): undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: insoluble in water

toxicological data

acute toxicity: miceceliacld50：425mg/ kg

ecological data

normally hazardous to water. do not discharge material into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 62.08

2. molar volume（m³/ mol）：166.7

3. isotonic ratio（90.2k）：462.9

4. surface tension(dyne/cm)：59.3

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability:24.61

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.4

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 333

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure, avoid contact with oxides

storage method

keep container tightly sealed take it out of the container and store it in a cool, dry place

synthesis method

none yet

purpose

none yet

resource:allhdi.com

dl-diethyl malate

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	06sw
molecular formula	c8h14o5
molecular weight	190.19
label	diethyl malate, diethyl hydroxysuccinate, diethyl malate, dl-malic acid diethyl ester, c2h5o2cch2ch(oh)co2c2h5

numbering system

cas number:626-11-9

mdl number:mfcd00048556

einecs number:210-930-0

rtecs number:none

brn number:none

pubchem number:24901029

physical property data

1. characteristics: colorless or nearly yellow transparent liquid.

2. density (g/ml,25/4℃): 1.127-1.134

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure): 138

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): 85

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/logarial value of the partition coefficient of water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: miscible with water, ethanol, acetone.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 44.15

2. molar volume (m³/mol）：165.4

3. isotonic specific volume (90.2k):414.0

4. surface tension (dyne/cm): 39.2

5. polarizability（10^-24cm³):17.50

compute chemical data

1. hydrophobic parameters calculate reference value (xlogp): 0.1

2. hydrogen bonding number of donors: 1

3. hydrogen bonding number of receptors: 5

4. rotatable number of chemical bonds: 7

5. topological molecule polar surface area (tpsa): 72.8

6. heavy atoms quantity: 13

7. surface charge ：0

8. complexity ：177

9. isotope atomic number:0

10. determine the number of atomic stereocenters:0

11. uncertain number of atomic stereocenters:0

12, determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

keep away from oxides, light, heat, high temperatures, open flames.

storage method

store in a sealed container in a cool, dry place at room temperature away from light. store away from oxidizing agents.

synthesis method

none yet

purpose

none yet

resource:allhdi.com

tetraglycine

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	0713
molecular formula	c8h14n4o5
molecular weight	246.22
label	triglycylamide glycine: glycamide glycamide glycamide glycine, gly-gly-gly-gly, glycyl-glycyl-glycyl-glycine, tetraglycine, triglycyl-glycine, nh2ch2co(nhch2co)3oh, biochemical reagents, oligopeptide

numbering system

cas number:637-84-3

mdl number:mfcd00008129

einecs number:211-303-4

rtecs number:none

brn number:1715387

pubchem number:24895140

physical property data

1. characteristics: white powder.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):>300

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12 . saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of water) partition coefficient: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: not determined .

toxicological data

none yet

ecological data

usually not harmful to water, do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 55.08

2. molar volume (m³/mol):176.6

3. isotonic specific volume (90.2k):500.3

4. surface tension (dyne/cm):64.2

5. polarizability（10^-24cm³):21.83

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 5

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 7

5. number of tautomers: 8

6. topological molecule polar surface area 151

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 317

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

stay away from oxides.

storage method

stored in seal the container and place in a cool, dry place. store away from oxidizing agents. -20ºc.

synthesis method

none yet

purpose

none yet

resource:allhdi.com

isopropyl isobutyrate

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	06j2
molecular formula	c7h14o2
molecular weight	130.19
label	1-methylethyl-2-methylpropionate

numbering system

cas number:617-50-5

mdl number:none

einecs number:210-517-5

rtecs number:nq5320000

brn number:none

pubchem id:none

physical property data

1. physical property data

1. boiling point (ºc, normal pressure): 130 °c

2. density: 0.85g/ml at 25 °c (lit.

3. refractive index: n20/d 1.388(lit.)

4. flash point (ºc): 20 ºc

5. relative density (20℃, 4℃): 0.8588

6. refractive index at room temperature (n²⁰): 1.3936

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 36.17

2. molar volume (cm³/mol): 148.3

3. isotonic specific volume (90.2k): 330.1

4. surface tension (dyne/cm): 24.5

5. polarizability (10^-24cm³): 14.33

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 95.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

properties and stability:

the product may not decompose under normal temperature and pressure.

storage method

storage:

seal the container and store it in a sealed main container in a cool, dry place.

synthesis method

none yet

purpose

none yet

resource:allhdi.com

octafluorotoluene

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	04tl
molecular formula	c7f8
molecular weight	236.06
label	octafluorotoluene, octafluorotoluene, 98+%, perfluorotoluene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene, octafluorotoluene, pentafluoro-benzotrifluoride, perfluorotoluene, (trifluoromethyl)pentafluorobenzene, benzene,pentafluoro(trifluoromethyl)-, octafluoro-toluen, octafluortoluol

numbering system

cas number:434-64-0

mdl number:mfcd00000375

einecs number:207-104-7

rtecs number:xt3530000

brn number:2057072

pubchem number:24887180

physical property data

1. physical property data

liquid phase standard claims heat (enthalpy) (kj·mol^-1): -1310.22

density (g/ml, 25/4℃): 1.666

relative density (20℃, 4℃): 1.6659 melting point (ºc): -65.5

boiling point (ºc, normal pressure): 103

liquid phase standard entropy (j·mol^-1·k^-1): 357.82

refractive index: 1.368

refractive index at room temperature (n²⁰): 1.3664

gas phase standard claimed heat (enthalpy) (kj·mol^-1): -1269.4

gas phase standard entropy (j·mol^-1·k^-1): 463.61

gas phase standard free energy of formation (kj·mol^-1): -1153.8

gas phase standard hot melt (j·mol^-1·k^-1): 191.1

critical temperature (k): 261.32

critical pressure (mpa): 2.693

liquid phase standard formation free energy (kj·mol ^-1): -1163.24

eccentricity factor: 0.475

explosion upper limit (%, v/v) : not available

lower explosion limit (%, v/v): not available

solubility: not available

toxicological data

2. toxicological data:

acute toxicity: not available.

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 38.07

2. molar volume (cm³/mol): 118.1

3. isotonic specific volume (90.2k ): 312.3

4. surface tension (dyne/cm): 48.9

5. polarizability (10-24cm3): 15.09

�calculate chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 210

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com

1,4-dioxene

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	05m4
molecular formula	c4h6o2
molecular weight	86.09
label	2,3-dihydro-1,4-dioxine

numbering system

cas number:543-75-9

mdl number:none

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: undetermined

2. density (g/ cm³,25/4℃):1.08

3. relative vapor density (g/cm³,air =1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure):94

6. boiling point (ºc,8kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc):1

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,55.1 ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of partition coefficient (water): undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:undetermined

toxicological data

none yet

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 21.26

2. molar volume (m³/mol):81.8

3. isotonic specific volume (90.2k):200.7

4. surface tension (dyne/cm):36.2

5. polarizability（10^-24cm³):8.42

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 18.5

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 50.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

stored in a cool, dry, well-ventilated warehouse. keep away from fire and heat sources. avoid direct sunlight. packed tightly. stored separately from acids and edible chemicals, and avoid mixed storage. suitable materials should be provided in the storage area contain leaks.

synthesis method

none

purpose

none

resource:allhdi.com

o-fluorobenzophenone

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	04au
molecular formula	c13h9fo
molecular weight	200.21
label	o-fluorobenzophenone, 2-fluorobenzophenone, o-fluorobenzophenone, 2-fluorobenzophenone, (2-fluoro-phenyl)-phenyl-methanone, 2-fluorobenzophenone 98% (gc), 2-fluorobenzophenone,97+%, 2-fluorobenzophenone 98%, 2-fluorobenzophenone98%, methanone, (2-fluorophenyl)phenyl-, o-fluorobenzophenone, ketones

numbering system

cas number:342-24-5

mdl number:mfcd00000318

einecs number:206-440-1

rtecs number:none

brn number:2047045

pubchem id:none

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): 1.18

relative vapor density (g/ml, air=1)：not available

melting point (ºc): not available

boiling point (ºc, normal pressure): 190

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.584-1.587

flash point (ºc): not available

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturation vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

solubility: not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index:56.03

2. molar volume (m³/mol):171.7

3. isotonic specific volume (90.2k):434.0

4. surface tension ( dyne/cm):40.7

5. polarizability（10^-24cm³):22.21

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 221

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

1. properties: boiling point 190℃, refractive index (nd20) 1.584-1.587.
2. preparation method: none.
3. purpose: none

resource:allhdi.com

tetrafluorosuccinic acid

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	04kw
molecular formula	c4h2f4o4
molecular weight	190.05
label	hooccf2cf2cooh, aliphatic compounds

numbering system

cas number:377-38-8

mdl number:mfcd00042430

einecs number:206-820-7

rtecs number:wn0725000

brn number:1790197

pubchem number:24888865

physical property data

一 , physical property data

traits ：not available

density (g/ml,25/4℃): 1.4

relative vapor density (g/ml, air=1)：not available

melting point (ºc): 115-118

boiling point (ºc, normal pressure): 150

boiling point (ºc, 5.2kpa): not available

�radiation rate: not available

flash point (ºc): 150

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve properties: not available

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 24.29

2. molar volume (m³/mol）：105.7

3. isotonic specific volume (90.2k):263.1

4. surface tension (dyne/cm):38.3

5. polarizability（10^-24cm ³):9.63

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 74.6

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 199

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com

glyceryl monomyristate

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	060d
molecular formula	c17h34o4
molecular weight	302.45
label	rac-glyceryl-1-myristic acid, 1-monotetradecanoyl-rac-glycerol, rac-1-myristoylglycerol, dl-α-myristin, single nutmeg butter, rac-glycerol 1-myristate, 1-monotetradecanoyl-rac-glycerol, rac-1-myristoylglycerol, dl-α-myristin, monomyristin, h3c(ch2)12cooch2ch(oh)ch2oh

numbering system

cas number:589-68-4

mdl number:mfcd00046760

einecs number:none

rtecs number:none

brn number:1727502

pubchem number:24896704

physical property data

1. physical property data

1. melting point (ºc): 68-70

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data: span>

1, molar refractive index:85.61

2, molar volume (cm³/mol):308.0

3, isotonic specific volume (90.2k):764.0

4, surface tension (dyne/cm):37.8

5、 polarizability (10^-24cm³): 33.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 16

5. number of tautomers: none

6. topological molecule polar surface area 66.8

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 231

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

storage conditions: -20ºc

synthesis method

none yet

purpose

none yet

resource:allhdi.com

4-hydroxy-2-methylquinoline

Published by BDMAEE on 2024-04-03 | Permalink

structural formula

business number	069r
molecular formula	c10h9no
molecular weight	159.18
label	2-methyl-4-hydroxyazepine, 2-methyl-4-hydroxyquinoline, 4-hydroxyquinaldine, parahydroxyquinaldine, 2-methyl-4-quinolinol, 2-metaquinol, 2-methyl-4-quinolinol

numbering system

cas number:607-67-0

mdl number:mfcd00006758

einecs number:210-140-6

rtecs number:none

brn number:118320

pubchem number:24895640

physical property data

1. physical property data

1. melting point: 234-236℃

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:48.89

2, molar volume (m³/mol):131.4

3, isotonic specific volume (90.2k ):357.9

4, surface tension (dyne/ cm):54.9

5, polarizability (10^-24cm³):19.38

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.9

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 15

6. topological molecule polar surface area 29.1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 232

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none yet

purpose

none yet

resource:allhdi.com